| SpectraBase Compound ID | 47EtmChr2Id |
|---|---|
| InChI | InChI=1S/C11H10O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,1-2H3 |
| InChIKey | MBQKZFKXGAJYQK-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C11H10O |
| Exact Mass | 158.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6beSZT2uDxF |
|---|---|
| Name | 2-Butyn-1-one, 1-(2-methylphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.073164941 u |
| Formula | C11H10O |
| InChI | InChI=1S/C11H10O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,1-2H3 |
| InChIKey | MBQKZFKXGAJYQK-UHFFFAOYSA-N |
| Molecular Weight | 158.200 g/mol |
| SMILES | C(C(C=1C(C)=CC=CC1)=O)#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876665 |